1-(3-bromophenyl)-2-cyclopropyl-3-(2-methylphenyl)benzene

C22H19Br — CID 70904935

IUPAC1-(3-bromophenyl)-2-cyclopropyl-3-(2-methylphenyl)benzene
SMILESCc1ccccc1-c1cccc(-c2cccc(Br)c2)c1C1CC1
InChIInChI=1S/C22H19Br/c1-15-6-2-3-9-19(15)21-11-5-10-20(22(21)16-12-13-16)17-7-4-8-18(23)14-17/h2-11,14,16H,12-13H2,1H3
InChIKeyZZJOUOOXSJUCST-UHFFFAOYSA-N
MW363.30 g/mol
LogP6.97
Rot. Bonds3

About 1-(3-bromophenyl)-2-cyclopropyl-3-(2-methylphenyl)benzene

1-(3-bromophenyl)-2-cyclopropyl-3-(2-methylphenyl)benzene (PubChem CID 70904935) has the molecular formula C22H19Br and a molecular weight of 363.30 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-cyclopropyl-3-(2-methylphenyl)benzene.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-cyclopropyl-3-(2-methylphenyl)benzene
PubChem CID70904935
Molecular FormulaC22H19Br
Molecular Weight363.30 g/mol
Exact Mass362.07
IUPAC Name1-(3-bromophenyl)-2-cyclopropyl-3-(2-methylphenyl)benzene
SMILESCc1ccccc1-c1cccc(-c2cccc(Br)c2)c1C1CC1
InChIInChI=1S/C22H19Br/c1-15-6-2-3-9-19(15)21-11-5-10-20(22(21)16-12-13-16)17-7-4-8-18(23)14-17/h2-11,14,16H,12-13H2,1H3
InChIKeyZZJOUOOXSJUCST-UHFFFAOYSA-N
XLogP6.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.30
LogP ≤ 56.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-cyclopropyl-3-(2-methylphenyl)benzene?
The IUPAC name of 1-(3-bromophenyl)-2-cyclopropyl-3-(2-methylphenyl)benzene (CID 70904935) is 1-(3-bromophenyl)-2-cyclopropyl-3-(2-methylphenyl)benzene.
What is the SMILES notation for 1-(3-bromophenyl)-2-cyclopropyl-3-(2-methylphenyl)benzene?
The canonical SMILES for 1-(3-bromophenyl)-2-cyclopropyl-3-(2-methylphenyl)benzene is Cc1ccccc1-c1cccc(-c2cccc(Br)c2)c1C1CC1.
What is the InChIKey of 1-(3-bromophenyl)-2-cyclopropyl-3-(2-methylphenyl)benzene?
The InChIKey is ZZJOUOOXSJUCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Br/c1-15-6-2-3-9-19(15)21-11-5-10-20(22(21)16-12-13-16)17-7-4-8-18(23)14-17/h2-11,14,16H,12-13H2,1H3.
What are the key properties of 1-(3-bromophenyl)-2-cyclopropyl-3-(2-methylphenyl)benzene?
1-(3-bromophenyl)-2-cyclopropyl-3-(2-methylphenyl)benzene has a molecular weight of 363.30 g/mol, XLogP of 6.97, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-cyclopropyl-3-(2-methylphenyl)benzene is sourced from PubChem (CID 70904935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).